MolSim-2018: Understanding Molecular Simulation
In January 2018, the school MolSim-2018 is scheduled to take place at the University of Amsterdam. The school hosts PhD and postdoc students working in the field of molecular simulation. MolSim-2018 is organized by the Amsterdam Center for Multiscale Modelling. Lecturers will include Daan Frenkel (Cambridge University), Berend Smit (EPFL Lausanne and Berkeley University), Gregory Voth (University of Chicago), and Rodolphe Vuilleumier (ENS Paris).
- Who: ACMM (Amsterdam Center for Multiscale Modeling)
- Where: University of Amsterdam
- When: Two weeks in January 2018
Molsim-2018 Pictures
Pictures made during the school can be seen at
goo.gl/ZpDVS5
Molsim-2018 Program
The program consists of morning sessions with lectures, and afternoon sessions with hand-on exercises.
There will be a poster session, and during the weekend an organized social event.
Below you find the program of the school.
Day |
Hour |
Room |
Lecturer |
Course |
Lecture Notes |
| Monday 8/1 | 09:00-09:15 | C0.110 | Evert Jan Meijer | Welcome | |
| 09:15-12:00 | C0.110 | Berend Smit | Intro General | ||
| Intro Stat Mech | |||||
| 13:00-16:30 | G.010, G0.23 | Bernd Ensing David Dubbeldam | Lab Course | ||
| 16:30 | Welcome drinks | ||||
| Tuesday 9/1 | 09:00-12:00 | C0.110 | Berend Smit | Intro Monte Carlo |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Wednesday 10/1 | 09:00-12:00 | C0.110 | Berend Smit | Intro Molecular Dynamics |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Thursday 11/1 | 09:00-12:00 | C0.110 | Peter Bolhuis | Advanced MD | |
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| 17:00-20:00 | POSTER SESSION, DRINKS AND FOOD | ||||
| Friday 12/1 | 09:00-12:00 | C0.110 | Evert Jan Meijer | Free Energies and Phase Equilibria | |
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Saturday 13/1 | Day Off | ||||
| Sunday 14/1 | 16:00 | Social Event + Dinner | |||
| Monday 15/1 | 09:00-12:00 | C0.110 | Thijs Vlugt | MC - CBMC |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Tuesday 16/1 | 09:00-12:00 | C0.110 | Daan Frenkel | MC - Advanced Methods |
|
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Wednesday 17/1 | 09:00-10:30 | C0.110 | Gregory Voth | Systematic Coarse-graining: Fundamentals and Applications | Abstract |
| 11:00-12:15 | C0.110 | Sanne Abeln | Biological Systems - Lattice Models | ||
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Thursday 18/1 | 09:00-12:00 | C0.110 | Peter Bolhuis | Rare Events | |
| 13:00-17:00 | G0.10, G0.23 | Lab Course | |||
| Friday 19/1 | 09:30-10:30 | C0.110 | Evert Jan Meijer | Introduction to First Principles Molecular Dynamics | |
| 11:00-12:00 | C0.110 | Rodolphe Vuilleumier | Applications of FPMD to Earth Sciences: From Hydrothermal Sources to the Earth Mantle | ||
| ~11:30 | C0.110 | Evert Jan Meijer | Closing |
Affiliations Lecturers:
Gregory Voth - University of Chicago
Rodolphe Vuilleumier - ENS Paris
Sanne Abeln - Free University Amsterdam
Thijs Vlugt - Delft University of Technology
Daan Frenkel - University of Cambridge
Berend Smit - EPFL and University of California Berkeley
Bernd Ensing - University of Amsterdam
David Dubbeldam - University of Amsterdam
Peter Bolhuis - University of Amsterdam
Evert Jan Meijer - University of Amsterdam
MolSim-2018 Exercises
Click here to download the MolSim2018 exercises
- choose "save file"
- depending on your situation, choose between these
options:
- OPTION 1: if you will compile and run the exercises on your own laptop or on a linux desktop computer, create a directory (e.g. "molsim") and move the downloaded "Exercises.tar.gz" file in this directory.
- OPTION 2: if you will compile and run the exercises remotely on the Bazis computer, make a unique directory (e.g. "JohnAndJaneDoe_821") on the Bazis cluster and move the downloaded "Exercises.tar.gz" file in this directory (e.g. open a terminal and execute the command: "scp ~/Downloads/Exercises.tar.gz molsimxx@bazis.science.uva.nl:JohnAndJaneDoe_821/" (assuming that the account name is "molsimxx"))
- open a terminal window
- change directory to the one that you created and moved the "Exercises.tar.gz" file to (e.g. "cd ~/molsim"); if you moved it to the Bazis computer, first login to that machine (e.g. "ssh molsimxx@bazis.science.uva.nl").
- unpack the file "Exercises.tar.gz" by typing the unix command "tar -xzvf Exercises.tar.gz"
- now you should have a directory "Exercises" in your home-directory (assuming that the file "Exercises.tar.gz" was saved in the directory that you are currently in).
new CFCMC excercise monday 15 January
Click here to download the CFCMC excercise